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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Tribological characteristics of gold films deposited on metals by ion plating and vapor deposition

The graded interface between an ion-plated film and a substrate is discussed as well as the friction and wear properties of ion-plated gold. X-ray photoelectron spectroscopy (XPS) depth profiling and microhardness depth profiling were used to investigate the interface. The friction and wear properties of ion-plated and vapor-deposited gold films were studied both in an ultra high vacuum system to maximize adhesion and in oil to minimize adhesion. The results indicate that the solubility of gold on the substrate material controls the depth of the graded interface. Thermal diffusion and chemical diffusion mechanisms are thought to be involved in the formation of the gold-nickel interface. In iron-gold graded interfaces the gold was primarily dispersed in the iron and thus formed a physically bonded interface. The hardness of the gold film was influenced by its depth and was also related to the composition gradient between the gold and the substrate. The graded nickel-gold interface exhibited the highest hardness because of an alloy hardening effect. The effects of film thickness on adhesion and friction were established.

Miyoshi, K.↗
DOE OSTI2024

Formation of uranium nitride nanoparticles via mechanical alloying of uranium-molybdenum alloy fuels in gaseous nitrogen

Uranium-molybdenum (U-Mo) alloys show promise as a nuclear fuel system due to their high thermal conductivity and fuel loading capability. However, U-Mo systems are susceptible to irradiation induced swelling ultimately affecting the cladding via mechanical and chemical interactions. To address these shortcomings, this research investigated the formation of uranium mononitride (UN) nanoparticles within a 90 wt% U/10 wt% Mo (U-10Mo) matrix to act as a prospective defect sink for fission products at nanometric hetero-interfaces. To promote the formation of UN, U-10Mo powders were mechanically alloyed under a high purity nitrogen atmosphere. Variations of the milling process investigated included media size, duration of milling, and number of times the milling jar was re-aerated with nitrogen gas. Characterization of the fuel microstructure was completed using light element analysis, X-ray diffraction, scanning and transmission-electron microscopy, electron energy loss spectroscopy, and atom probe tomography. UN nanoparticles measuring 1–5 nm in radius were observed in the U-Mo matrix as early as 1 h into the mechanical alloying process. Milling time in excess of 10 h was found to lead to deleterious effects induced by the stainless-steel milling media.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1979

Effect of interfacial species on shear strength of metal-sapphire contacts

The interfacial shear strength of the metal-insulator system has been studied by means of the coefficient of static friction of copper, nickel, or gold contacts on sapphire in ultrahigh vacuum. The effect on contact strength of adsorbed oxygen, nitrogen, chlorine, and carbon monoxide on the metal surfaces is reported. It was found that exposures as low as 1 L of O2 on Ni produced observable increases in contact strength, whereas exposures of 3 L of Cl2 lead to a decrease in contact strength. These results imply that submonolayer concentrations of these species at the interface of a thin Ni film on Al2O3 should affect film adhesion similarly. The atomic mechanism by which these surface or interface phases affect interfacial strength is not yet understood.

Pepper, S. V.↗
NASA NTRS1987

The nature and evaluation of commercial expert system building tools, revision 1

This memorandum reviews the factors that constitute an Expert System Building Tool (ESBT) and evaluates current tools in terms of these factors. Evaluation of these tools is based on their structure and their alternative forms of knowledge representation, inference mechanisms and developer end-user interfaces. Next, functional capabilities, such as diagnosis and design, are related to alternative forms of mechanization. The characteristics and capabilities of existing commercial tools are then reviewed in terms of these criteria.

Gevarter, William B.↗
NASA NTRS1993

High Temperature Composite Analyzer (HITCAN) theoretical manual, version 1.0

This manual outlines some of the theoretical aspects embedded in the computer code, HITCAN (High Temperature Composite ANalyzer). HITCAN is a general purpose computer program for predicting nonlinear global structural and local stress-strain response of arbitrarily oriented, multilayered high temperature metal matrix composite structures. This code combines composite mechanics and laminate theory with an internal data base of the constituents (matrix, fiber and interface) material properties. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on several parameters including temperature, stress and stress rate. The computational procedure for the analysis of the composite structure uses the finite element method. HITCAN consists of three modules: COBSTRAN, METCAN and MHOST. COBSTRAN generates the geometry (pre-processor) and defines the layup of the different plies. METCAN computes the material behavior of the composite and of the constituents. Finally, MHOST is a finite element program based on the mixed iterative solution technique. MHOST has a library for 2D and 3D isoparametric elements. HITCAN is written in FORTRAN 77 computer language and has been configured and executed on the NASA Lewis Research Center CRAY XMP and YMP computers.

Lackney, J. J.↗
NASA NTRS1982

Payload installation and deployment aid for space shuttle orbiter spacecraft remote manipulator system

An aid concept known as the PIDA (Payload Installation and Deployment Aid) is presented as a way to assist the Remote Manipulator System (RMS) by relaxing the accuracy required during payload handling in the payload bay. The aid concept was designed and developed to move payloads through a prescribed path between the confined quarters of the payload bay and a position outside the critical maneuvering area of the Orbiter. An androgynous docking mechanism is used at the payload/PIDA interfaces for normal docking functions that also serves as the structural connection between the payload and the Orbiter, that is capable of being loosened to prevent transfer of loads between a stowed payload and the PIDA structure. A gearmotor driven drum/cable system is used in the docking mechanism in a unique manner to center the attenuator assembly, align the ring and guide assembly (docking interface) in roll, pitch, and yaw, and rigidize the mechanism at a nominal position. A description of the design requirements and the modes of operation of the various functions of the deployment and the docking mechanisms are covered.

Ross, T. O.↗
DOE OSTI2020

Surface Reactivity Analysis of the Crude Oil–Brine–Limestone Interface for a Comprehensive Understanding of the Low-Salinity Waterflooding Mechanism

Low-salinity waterflooding (LSWF) has proven to improve oil recovery in carbonate formations through rock wettability alteration, although the underlying mechanism remains elusive. Multivalent ionic exchange and calcite dissolution have usually been investigated using geochemical analysis in secondary coreflooding. In this work, coreflooding, in tertiary mode, coupled with a surface reactivity analysis approach was employed to investigate the interplay of wettability alteration mechanisms such as mineral dissolution, electrostatic bond attraction, and the effect of pH at in situ conditions. Improved oil recovery (IOR) in tertiary mode observed by coreflooding in Indiana limestone rocks showed an ionic strength dependence, that is, reducing brine ionic strength resulted in an increase in oil recovery. Coreflooding results showed that the seawater and low-salinity brines deprived of Mg 2+ ions resulted in the lowest IOR in tertiary mode, indicating the significance of Mg 2+ on IOR in limestone rocks. Similar results were observed through the contact angle measurement showing the limestone rock wettability state dependence on ionic strength and the effect of Mg2+ ions. Surface reactivity analysis showed an increase in solution pH, Ca 2+ and Mg 2+ ions concentration in the effluent solution from the coreflooding in tertiary mode using low salinity brines (about 40 and 20% increase in the effluent composition for Ca 2+ and Mg 2+ , respectively). These changes in solution composition were used to calculate the in situ oil–brine and rock–brine zeta potential using a validated surface complexation model, showing the changes of zeta potential as brine is injected into limestone rocks. The results show that using seawater-like brine in tertiary mode resulted in no mineral dissolution or ionic exchange. However, improved oil recovery (IOR) using such seawater-like brine was due to wettability alteration caused by reduced electrostatic bond attraction associated with Mg 2+ ions [from 2.6 × 10 –13 (mol/m 2 ) 2 for formation water salinity to 1.5 × 10 –13 (mol/m 2 ) 2 for seawater salinity]. Using low-salinity brines in tertiary mode improved oil recovery by mineral dissolution, resulting in oil desorption and an increase in solution pH. Finally, the increase in solution pH also resulted in reduced electrostatic bond attraction which lead to rock wettability alteration using low-salinity brines.

04 OIL SHALES AND TAR SANDS↗
NASA NTRS1990

Interfacial dynamics of two liquids under an oscillating gravitational field

The evolution of two miscible liquids meeting at an initially sharp interface inside a cavity under microgravity g-jitter conditions is studied numerically. The response of the interface and kinematics of the flowfield to various g-jitter accelerations and aspect ratio variations is shown. The interface region acts like a vortex source sheet, and it can be unstable to Kelvin-Helmholtz and Rayleigh-Taylor instabilities. The vortices produced along the interface can serve as a stirring mechanism to promote local mixing. Below the critical Stokes-Reynolds number, the destabilization of the interface results in deformation into wavy structures. In some parameter regions, these structures oscillate in time; in others, they are quasi-steady. Above the critical Stokes-Reynolds number, 'chaotic' instability results, and the interface breaks into concentration pockets. The morphology of the initial breakup is similar to observed Rayleigh-Taylor instability. Subsequent mixing of the two fluids after the breakup of the interface is then very rapid.

Duval, Walter M. B.↗
DOE OSTI2021

The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion

Varicella-zoster virus (VZV) is a medically important alphaherpesvirus that induces fusion of the virion envelope and the cell membrane during entry, and between cells to form polykaryocytes within infected tissues during pathogenesis. All members of the Herpesviridae , including VZV, have a conserved core fusion complex composed of glycoproteins, gB, gH and gL. The ectodomain of the primary fusogen, gB, has five domains, DI-V, of which DI contains the fusion loops needed for fusion function. We recently demonstrated that DIV is critical for fusion initiation, which was revealed by a 2.8Å structure of a VZV neutralizing mAb, 93k, bound to gB and mutagenesis of the gB-93k interface. To further assess the mechanism of mAb 93k neutralization, the binding site of a non-neutralizing mAb to gB, SG2, was compared to mAb 93k using single particle cryogenic electron microscopy (cryo-EM). The gB-SG2 interface partially overlapped with that of gB-93k but, unlike mAb 93k, mAb SG2 did not interact with the gB N-terminus, suggesting a potential role for the gB N-terminus in membrane fusion. The gB ectodomain structure in the absence of antibody was defined at near atomic resolution by single particle cryo-EM (3.9Å) of native, full-length gB purified from infected cells and by X-ray crystallography (2.4Å) of the transiently expressed ectodomain. Both structures revealed that the VZV gB N-terminus (aa72-114) was flexible based on the absence of visible structures in the cryo-EM or X-ray crystallography data but the presence of gB N-terminal peptides were confirmed by mass spectrometry. Notably, N-terminal residues 109 KSQD 112 were predicted to form a small α-helix and alanine substitution of these residues abolished cell-cell fusion in a virus-free assay. Importantly, transferring the 109 AAAA 112 mutation into the VZV genome significantly impaired viral propagation. These data establish a functional role for the gB N-terminus in membrane fusion broadly relevant to the Herpesviridae .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Interfaces play a pivotal role in dictating the performance and reliability of all-solid-state batteries (ASSBs), where complex electro-chemo-mechanical phenomena at grain boundaries (GBs) and interfaces can lead to degradation and failure. Traditional atomistic simulation methods, such as first-principles calculations and classical molecular dynamics, face limitations in modeling these interfaces due to either high computational cost or insufficient transferability to the diverse atomic environments evolving at interfaces. Machine-learning interatomic potentials (MLIPs) have emerged as a transformative approach, enabling large-scale, high-accuracy simulations of disordered and chemically complex systems by leveraging the predictability of machine learning models trained on first-principles data. Recent applications of MLIPs have demonstrated their ability to capture intricate behaviors at ASSB interfaces, including ion transport, interfacial evolution, and degradation mechanisms, with accuracy and efficiency unattainable by conventional methods. This prospective paper presents comprehensive analysis and practical guidance for MLIP development for GBs and interfaces in ASSBs, with a focus on three key pillars: data generation, model selection, and validation. Here, we review the current state of MLIP applications for GBs and interfaces in both general and ASSB-specific materials, highlighting best practices and challenges in constructing diverse and representative datasets, choosing appropriate machine learning architectures, and rigorously validating model performance. We also discuss emerging strategies and opportunities for improved reliability and efficiency of MLIPs to simulate realistic interfaces in ASSBs.

Energy - Storage↗
DOE OSTI2024

Probing degradation at solid-state battery interfaces using machine-learning interatomic potential

Solid-state batteries featuring fast ion-conducting solid electrolytes are promising next-generation energy storage technologies, yet challenges remain for practical deployment due to electro-chemo-mechanical instabilities at solid-solid interfaces. These interfaces, which include homogeneous/internal interfaces such as grain boundaries (GBs) and heterogeneous/external interfaces between solid-electrolyte and electrode materials, can impede Li-ion transport, deteriorate performance, and eventually lead to cell failure. Here, in this study, we leverage large-scale molecular simulations, enabled by validated machine-learning interatomic potentials, to directly probe the onset of interfacial degradation at the garnet Li 7 La 3 Zr 2 O 12 (LLZO) solid-electrolyte/LiCoO 2 (LCO) cathode interface. By surveying different interfacial geometries and compositions, it is found that Li-deficient interfaces can lead to severe interfacial disordering with cation mixing and Co interdiffusion from LCO into LLZO. By contrast, Li-sufficient interfaces are less disordered, although elemental segregation with local ordering is observed. As a consequence of Co interdiffusion, Co-rich regions are formed at the GBs of LLZO due to cation segregation and trapping effects. This behavior is independent of the GB tilting axis, degree of disorder at the GBs, and Co concentration, which implies Co clustering at GBs is a general phenomenon in polycrystalline LLZO and can dictate its overall transport and mechanical properties. Our findings elucidate the underlying fundamental mechanisms that give rise to experimentally observed physicochemical properties and provide guidelines for interface design that can mitigate interfacial degradation and improve cycling performance.

25 ENERGY STORAGE↗
DOE OSTI2021

Surface equilibration mechanism controls the molecular packing of glassy molecular semiconductors at organic interfaces

Significance Because glasses are nonequilibrium materials, even a single-component system has an enormous number of distinct glass structures. Physical vapor deposition (PVD) is an important tool for preparing a wide range of these glasses. While the substrate can influence structure for hundreds of nanometers for crystalline and liquid crystalline systems, little is known about the structure of PVD glasses near an underlying substrate. This is important for organic electronics, as layers of PVD glasses as thin as 10 nm are used as active elements in organic light-emitting diodes, and molecular packing is vital to performance. We show that the free surface controls molecular packing of PVD glasses near a buried interface rather than the substrate, in sharp contrast with crystalline systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Explosion Mechanism of Core-collapse Supernovae: Role of the Si/Si–O Interface

Abstract We present a simple criterion to predict the explodability of massive stars based on the density and entropy profiles before collapse. If a pronounced density jump is present near the Si/Si–O interface, the star will likely explode. We develop a quantitative criterion by using ∼1300 1D simulations where ν -driven turbulence is included via time-dependent mixing-length theory. This criterion correctly identifies the outcome of the supernova more than 90% of the time. We also find no difference in how this criterion performs on two different sets of progenitors, evolved using two different stellar evolution codes: FRANEC and KEPLER. The explodability as a function of mass of the two sets of progenitors is very different, showing: (i) that uncertainties in the stellar evolution prescriptions influence the predictions of supernova explosions; (ii) the most important properties of the pre-collapse progenitor that influence the explodability are its density and entropy profiles. We highlight the importance that ν -driven turbulence plays in the explosion by comparing our results to previous works.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

TEM studies of oxidized NiAl and Ni3Al cross sections

Cross sections of oxide scale/(Ni-Al) intermetallics were prepared by a new method and studied using primarily TEM. The cross sections were prepared by encasing an oxidized metal specimen sandwich in a low-melting-temperature zinc alloy. Observations of oxidized zirconium-doped beta-NiAl cross sections revealed crystallographic voids beneath an adherent Al2O3 scale. The oxide-metal interface was incoherent, but a high dislocation density in the metal near the interface suggested that a large tensile stress was induced by the attached oxide scale. A duplex Al2O3-NiAl2O4 scale formed on zirconium-doped and zirconium/boron-doped gamma-prime-Ni3Al alloys. Additional results are presented involving oxidation mechanisms and oxide-metal interface structures.

Doychak, J.↗
NASA NTRS1996

Integration of the Shuttle RMS/CBM Positioning Virtual Environment Simulation

Constructing the International Space Station, or other structures, in space presents a number of problems. In particular, payload restrictions for the Space Shuttle and other launch mechanisms prohibit assembly of large space-based structures on Earth. Instead, a number of smaller modules must be boosted into orbit separately and then assembled to form the final structure. The assembly process is difficult, as docking interfaces such as Common Berthing Mechanisms (CBMS) must be precisely positioned relative to each other to be within the "capture envelope" (approximately +/- 1 inch and +/- 0.3 degrees from the nominal position) and attach properly. In the case of the Space Station, the docking mechanisms are to be positioned robotically by an astronaut using the 55-foot-long Remote Manipulator System (RMS) robot arm. Unfortunately, direct visual or video observation of the placement process is difficult or impossible in many scenarios. One method that has been tested for aligning the CBMs uses a boresighted camera mounted on one CBM to view a standard target on the opposing CBM. While this method might be sufficient to achieve proper positioning with considerable effort, it does not provide a high level of confidence that the mechanisms have been placed within capture range of each other. It also does nothing to address the risk of inadvertent contact between the CBMS, which could result in RMS control software errors. In general, constraining the operator to a single viewpoint with few, if any, depth cues makes the task much more difficult than it would be if the target could be viewed in three-dimensional space from various viewpoints. The actual work area could be viewed by an astronaut during EVA; however, it would be extremely impractical to have an astronaut control the RMS while spacewalking. On the other hand, a view of the RMS and CBMs to be positioned in a virtual environment aboard the Space Shuttle orbiter or Space Station could provide similar benefits more safely and conveniently with little additional cost. In order to render and view the RMS and CBMs in a virtual world, the position and orientation of the end effector in three-dimensional space must be known with a high degree of accuracy. A precision video alignment sensor has been developed which can determine the position and orientation of the controlled element relative to the target CBM within approximately one-sixteenth inch and 0.07 angular degrees. Such a sensor could replace or augment the boresighted camera mentioned above. The computer system used to render the virtual world and the position tracking systems which might be used to monitor the user's movements (in order to adjust the viewpoint in virtual space) are small enough to carry to orbit. Thus, such a system would be feasible for use in constructing structures in space.

Dumas, Joseph D.↗
DOE OSTI2025

Machine learning-enabled multiscale modeling of mechanical deformation of aluminum and Al-SiC nanocomposites

A machine learning-enabled multiscale framework is developed for modeling the mechanical response of both pure metal and nanoparticle-reinforced metal matrix nanocomposites (MMNCs). Using aluminum–silicon carbide (Al-SiC) as an example MMNC, atomistic simulations reveal three distinct deformation mechanisms (i.e., defect-free, dislocation-based, and interface separation) governed by the interfaces between the Al matrix and SiC nanoparticles. As compared with single crystal Al, the lattice undergoes a more abrupt failure once the dislocation network becomes extensive and void nucleation initiates, whereas in Al-SiC, nanoparticle interfaces enable a more gradual progression of damage. These mechanisms are captured through a combined classification-regression neural network surrogate model that bridges atomic-scale insights with continuum-scale finite element analysis. Machine learning-enabled multiscale modeling of pure Al accurately predicted strain localization and confirmed by in-situ scanning electron microscopic tensile testing on perforated Al specimens. This study underscores the promise of integrating physics-informed machine learning with hierarchical modeling to capture the interface dominated phenomena and guide the design of advanced MMNCs.

Al-SiC↗
DOE OSTI2020

Degradation mechanism of lead-vanado-iodoapatite in NaCl solution

Degradation mechanism of lead-vanado-iodoapatite (IAPT) in NaCl solution at 90 °C was investigated through systematic characterization of surface morphology, microstructure and microchemistry evolution of the alteration layer. Nano-scale characterization indicated that IAPT crystals degraded from grain boundaries toward inner grains, forming ultrafine Cl-bearing crystallites. A coupled interface dissolution-reprecipitation replacement mechanism and the ion exchange between Cl - and I - across the degradation zone may together play roles in determining the nano-scale degradation behavior of IAPT. This work highlights the degradation through multiple reactions and elemental transport across the liquid-solid and solid-solid interfaces at length scales from sub-millimeter to nanoscale.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRSDate not supplied

The Measurement of Shear Strain in Impact Ice Using a Modified Lap Joint Test and Digital Image Correlation

The results of ice adhesion testing efforts are typically quantified using the maximum shear stress sustained at the interface before the ice detaches from the underlying substrate. While this singular value can be useful for understanding the role icing wind tunnel conditions and substrate surface properties have on the strength of the ice-substrate interface, it does not capture the mechanical behavior of the ice during an experiment. To better understand the deformation of the ice sample and ice-substrate interface during testing, digital image correlation was applied to the lap-joint shear test methodology utilized at NASA Glenn Research Center. Preparation of the sample surface for digital image correlation, initial parsing of the correlation data, and the time synchronization of data from multiple sources are discussed. Using the directional components of deformation measured via digital image correlation, a novel approach to calculating the interfacial shear strain is presented. Results from analyzing several impact ice samples consistently reveals a non-linear response in the ice during mechanical loading which occurs prior to sample delamination, a behavior not observable in the force and displacement data gathered from the testing apparatus. Both the full and small angle forms of the engineering shear strain are evaluated, with the full shear strain form providing considerably lower noise levels. The transition of sample response from near the interface to the bulk behavior of the ice under shear loading is discussed with results from several samples being presented.

Ice adhesion↗